2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid

C14H17NO4 — CID 79848771

IUPAC2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1O
InChIInChI=1S/C14H17NO4/c1-9-3-4-10(7-11(9)16)13(19)15-14(5-2-6-14)8-12(17)18/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyOPAYUFKQWGSDRC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79848771) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79848771
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1O
InChIInChI=1S/C14H17NO4/c1-9-3-4-10(7-11(9)16)13(19)15-14(5-2-6-14)8-12(17)18/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyOPAYUFKQWGSDRC-UHFFFAOYSA-N
XLogP1.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 119217243
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid (CID 79848771) is 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid is Cc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1O.
What is the InChIKey of 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is OPAYUFKQWGSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-3-4-10(7-11(9)16)13(19)15-14(5-2-6-14)8-12(17)18/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).